2-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(2-pyridylmethyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-(2-pyridinylmethyl)-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(pyridin-2-ylmethyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(2-pyridylmethyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c16-19(17,18)10-6-12-4-8-15(9-5-12)11-13-3-1-2-7-14-13/h1-5,7-9H,6,10-11H2